BDBM13589 (4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5-(tetrahydro-furan-3- yloxy)-phenyl]-acetic acid::2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoro-3-(oxolan-3-yloxy)phenyl]acetic acid::phenylglycine derivative 4
SMILES: CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
InChI Key: InChIKey=PGYOHIAQCFZQDK-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor VII (Homo sapiens (Human)) | BDBM13589![]() ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 88 | -9.52 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Inc | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13589![]() ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13589![]() ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin and coagulation factor X (Homo sapiens (Human)) | BDBM13589![]() ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | PC cid PC sid PDB UniChem Similars | Article PubMed | 7.10E+3 | -6.95 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Inc | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair |